Crystallography Open Database

Information card for entry 4346277

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Coordinates	4346277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Br2 Cu N O4
Calculated formula	C16 H10 Br2 Cu N O4
Title of publication	Structural flexibilities and gas adsorption properties of one-dimensional copper(II) polymers with paddle-wheel units by modification of benzoate ligands.
Authors of publication	Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	19
Pages of publication	9423 - 9431
a	18.4317 ± 0.0004 Å
b	18.4317 ± 0.0004 Å
c	19.5866 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6654.1 ± 0.2 Å³
Cell temperature	112 K
Ambient diffraction temperature	112 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.2773
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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